6-amino-3-(3,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(3,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(3,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 4036-0447 |
| Compound Name: | 6-amino-3-(3,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 443.29 |
| Molecular Formula: | C21 H16 Cl2 N4 O3 |
| Smiles: | COc1ccc(c(c1)C1C(C#N)=C(N)Oc2c1c(c1ccc(c(c1)[Cl])[Cl])n[nH]2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5571 |
| logD: | 4.5571 |
| logSw: | -4.832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.647 |
| InChI Key: | JKTPOKNQTOIGLR-KRWDZBQOSA-N |